title: Electronic transport in natively oxidized silicon nanowires.
abstract: Silicon nanowires are widely used as active functional elements in advanced electronic devices, most notably in biological sensors. While surface oxidation of the wires occurs upon exposure to a wet environment, theoretical studies are often limited to ideally crystalline, H-terminated wire models. We present an accurate computational study of the electronic and transport properties of natively oxidized, ultrathin silicon nanowires including dopant elements. Comparisons with perfectly ordered and distorted H-terminated structures reveal an unexpected interplay of effects that oxidation-induced structural distortions and electronegative Si/SiO(x) interfaces have on the conductance of B- or P-doped nanowires.
authors.affiliation: Hybrid Materials Interfaces Group, Faculty of Production Engineering and Bremen Center for Computational Materials Science, University of Bremen, 28359 Bremen, Germany. koleini.m@gmail.com.
authors.forename: Mohammad
authors.initials: M
authors.lastname: Koleini
authors.forename: Lucio
authors.initials: L
authors.lastname: Colombi Ciacchi
authors.forename: Maria Victoria
authors.initials: MV
authors.lastname: Fernández-Serra